Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012047
PROPERTIES
NPAID | NPA012047 |
---|---|
CLUSTER ID | 4576 |
NODE ID | 3345 |
NAME | Neosartoricin |
FORMULA | C26H28O9 |
MOLECULAR WEIGHT (Da) | 484.5010 |
ACCURATE MASS (Da) | 484.1733 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | fumigatus |
InChIKey | KVVYTLCXDTXZPI-FTJBHMTQSA-N |
InChI | InChI=1S/C26H28O9/c1-12(2)5-6-17-18-8-15(29)9-20(31)21(18)23(32)22-19(17)11-26(34,10-16(30)7-13(3)27)25(24(22)33)35-14(4)28/h5,7-9,25,29-32,34H,6,10-11H2,1-4H3/t25-,26+/m1/s1 |
SMILES | CC(=CCC1=C2C[C@]([C@@H](C(=O)C2=C(C3=C(C=C(C=C13)O)O)O)OC(=O)C)(CC(=CC(=O)C)O)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Chooi, Yit-Heng; Fang, Jinxu; Liu, Hong; Filler, Scott G.; Wang, Pin; Tang, Yi Genome mining of a prenylated and immunosuppressive polyketide from pathogenic fungi Organic Letters 2013 15 (4) 780-783. | ||
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DOI | 10.1021/ol303435y | PMID | 23368997 |